methyl 2-[(2S)-1-[(2S)-2-[[(2S)-2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
| Internal ID | e1f07ae9-4a1c-4b08-a9b4-f1c3bcc3b9dd |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | methyl 2-[(2S)-1-[(2S)-2-[[(2S)-2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate |
| SMILES (Canonical) | CC(C)(C=C)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C4=NC(=CS4)C(=O)OC |
| SMILES (Isomeric) | CC(C)(C=C)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C4=NC(=CS4)C(=O)OC |
| InChI | InChI=1S/C32H38N4O4S/c1-5-32(2,3)35-24(19-22-13-8-6-9-14-22)28(37)33-25(20-23-15-10-7-11-16-23)30(38)36-18-12-17-27(36)29-34-26(21-41-29)31(39)40-4/h5-11,13-16,21,24-25,27,35H,1,12,17-20H2,2-4H3,(H,33,37)/t24-,25-,27-/m0/s1 |
| InChI Key | JQFBTQXBHCKSHR-KLJDGLGGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H38N4O4S |
| Molecular Weight | 574.70 g/mol |
| Exact Mass | 574.26137688 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of methyl 2-[(2S)-1-[(2S)-2-[[(2S)-2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/7cb78e50-8619-11ee-b459-f36ad84108cc.jpg "2D Structure of methyl 2-[(2S)-1-[(2S)-2-[[(2S)-2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.36% | 98.95% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 97.57% | 98.33% |
| CHEMBL240 | Q12809 | HERG | 97.32% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.07% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.41% | 97.64% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 90.83% | 91.81% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.32% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.58% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.92% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.88% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.87% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 86.85% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.08% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.98% | 97.14% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.58% | 92.97% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.23% | 95.89% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 82.66% | 93.33% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 81.33% | 87.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.17% | 93.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 132491096 |
| LOTUS | LTS0080108 |
| wikiData | Q105133460 |